| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | Yes |
Popular Name: 1-(3-methoxyphenyl)-4-[(3S,6R)-6-methyl-3-piperidyl]piperazine 1-(3-methoxyphenyl)-4-[(3S,6R)-6…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.47 | 4.88 | -41.66 | 2 | 4 | 1 | 32 | 290.431 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 3.61 | -4.33 | 1 | 4 | 0 | 28 | 289.423 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.47 | 5.77 | -38.55 | 2 | 4 | 1 | 29 | 290.431 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.47 | 7.03 | -115.45 | 3 | 4 | 2 | 34 | 291.439 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
